2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide

C17H20FN3O3 — CID 129327822

IUPAC2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide
SMILESCc1noc([C@H](NC(=O)Cc2ccc(F)cc2)C2CCOCC2)n1
InChIInChI=1S/C17H20FN3O3/c1-11-19-17(24-21-11)16(13-6-8-23-9-7-13)20-15(22)10-12-2-4-14(18)5-3-12/h2-5,13,16H,6-10H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyWPOABXLILDAXCG-MRXNPFEDSA-N
MW333.36 g/mol
LogP2.34
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide

2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide (PubChem CID 129327822) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide
PubChem CID129327822
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide
SMILESCc1noc([C@H](NC(=O)Cc2ccc(F)cc2)C2CCOCC2)n1
InChIInChI=1S/C17H20FN3O3/c1-11-19-17(24-21-11)16(13-6-8-23-9-7-13)20-15(22)10-12-2-4-14(18)5-3-12/h2-5,13,16H,6-10H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyWPOABXLILDAXCG-MRXNPFEDSA-N
XLogP2.34
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide (CID 129327822) is 2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide is Cc1noc([C@H](NC(=O)Cc2ccc(F)cc2)C2CCOCC2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide?
The InChIKey is WPOABXLILDAXCG-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-11-19-17(24-21-11)16(13-6-8-23-9-7-13)20-15(22)10-12-2-4-14(18)5-3-12/h2-5,13,16H,6-10H2,1H3,(H,20,22)/t16-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide?
2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide has a molecular weight of 333.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide is sourced from PubChem (CID 129327822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).